General Information of the Compound
| Compound ID |
CP0470082
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| Compound Name |
US10047103, 104
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| Structure |
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| Formula |
C23H21N5O5S2
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| Molecular Weight |
511.585
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)N3CC4(COC4)C3)cc(OC)cc2o1
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| InChI |
InChI=1S/C23H21N5O5S2/c1-29-14-3-17(32-7-13-8-34-20(24-13)27-9-23(10-27)11-31-12-23)15-5-19(33-18(15)4-14)16-6-28-21(25-16)35-22(26-28)30-2/h3-6,8H,7,9-12H2,1-2H3
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| InChIKey |
YPODSXMAZNBCFX-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound